6-[2-(diethylamino)-1-hydroxyethyl]-2-methyl-4H-1,4-benzoxazin-3-one

C15H22N2O3 — CID 82216201

IUPAC6-[2-(diethylamino)-1-hydroxyethyl]-2-methyl-4H-1,4-benzoxazin-3-one
SMILESCCN(CC)CC(O)c1ccc2c(c1)NC(=O)C(C)O2
InChIInChI=1S/C15H22N2O3/c1-4-17(5-2)9-13(18)11-6-7-14-12(8-11)16-15(19)10(3)20-14/h6-8,10,13,18H,4-5,9H2,1-3H3,(H,16,19)
InChIKeyJSOUSFKIEUJXAW-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.78
Rot. Bonds5

About 6-[2-(diethylamino)-1-hydroxyethyl]-2-methyl-4H-1,4-benzoxazin-3-one

6-[2-(diethylamino)-1-hydroxyethyl]-2-methyl-4H-1,4-benzoxazin-3-one (PubChem CID 82216201) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 6-[2-(diethylamino)-1-hydroxyethyl]-2-methyl-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[2-(diethylamino)-1-hydroxyethyl]-2-methyl-4H-1,4-benzoxazin-3-one
PubChem CID82216201
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name6-[2-(diethylamino)-1-hydroxyethyl]-2-methyl-4H-1,4-benzoxazin-3-one
SMILESCCN(CC)CC(O)c1ccc2c(c1)NC(=O)C(C)O2
InChIInChI=1S/C15H22N2O3/c1-4-17(5-2)9-13(18)11-6-7-14-12(8-11)16-15(19)10(3)20-14/h6-8,10,13,18H,4-5,9H2,1-3H3,(H,16,19)
InChIKeyJSOUSFKIEUJXAW-UHFFFAOYSA-N
XLogP1.78
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1-hydroxypropyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 22623043
6-[(1R)-1-hydroxypropyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 82758141
6-[1-hydroxy-2-[2-hydroxyethyl(methyl)amino]ethyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 82216203
6-[dimethylamino(hydroxy)methyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 116909591
3-methyl-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)butanoic acid
CID 82485901
6-(1-amino-3-oxobutyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 116940571
6-[1-(dimethylamino)-3-hydroxypropyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 116907684
6-[1-hydroxy-3-(3-methylpiperidin-1-yl)propyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 110830655
6-[2-[ethyl(2-hydroxyethyl)amino]-1-hydroxyethyl]-4H-1,4-benzoxazin-3-one
CID 82216264
6-[2-amino-1-(methylamino)ethyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 116855713
6-(1-amino-3-chloropropyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 116937736
6-(1,2-diamino-2-methylpropyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 116932657

Frequently Asked Questions

What is the IUPAC name of 6-[2-(diethylamino)-1-hydroxyethyl]-2-methyl-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-[2-(diethylamino)-1-hydroxyethyl]-2-methyl-4H-1,4-benzoxazin-3-one (CID 82216201) is 6-[2-(diethylamino)-1-hydroxyethyl]-2-methyl-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[2-(diethylamino)-1-hydroxyethyl]-2-methyl-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[2-(diethylamino)-1-hydroxyethyl]-2-methyl-4H-1,4-benzoxazin-3-one is CCN(CC)CC(O)c1ccc2c(c1)NC(=O)C(C)O2.
What is the InChIKey of 6-[2-(diethylamino)-1-hydroxyethyl]-2-methyl-4H-1,4-benzoxazin-3-one?
The InChIKey is JSOUSFKIEUJXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-17(5-2)9-13(18)11-6-7-14-12(8-11)16-15(19)10(3)20-14/h6-8,10,13,18H,4-5,9H2,1-3H3,(H,16,19).
What are the key properties of 6-[2-(diethylamino)-1-hydroxyethyl]-2-methyl-4H-1,4-benzoxazin-3-one?
6-[2-(diethylamino)-1-hydroxyethyl]-2-methyl-4H-1,4-benzoxazin-3-one has a molecular weight of 278.35 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(diethylamino)-1-hydroxyethyl]-2-methyl-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 82216201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).